ChemSpider 2D Image | tert-butyl (3s)-3-fluoro-4-oxopiperidine-1-carboxylate | C10H16FNO3

tert-butyl (3s)-3-fluoro-4-oxopiperidine-1-carboxylate

  • Molecular FormulaC10H16FNO3
  • Average mass217.237 Da
  • Monoisotopic mass217.111420 Da
  • ChemSpider ID32789868

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S)-3-Fluoro-4-oxo-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1450879-67-0 [RN]
1-Piperidinecarboxylic acid, 3-fluoro-4-oxo-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-fluoro-4-oxo-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-fluor-4-oxo-1-piperidincarboxylat [German] [ACD/IUPAC Name]
tert-butyl (3s)-3-fluoro-4-oxopiperidine-1-carboxylate
CC(C)(C)OC(=O)N1CCC(=O)[C@@H](F)C1
MFCD30182149
t-Butyl (3S)-3-fluoro-4-oxopiperidine-1-carboxylate
tert-Butyl (S)-3-fluoro-4-oxopiperidine-1-carboxylate

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 288.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.8±3.0 kJ/mol
    Flash Point: 128.4±27.3 °C
    Index of Refraction: 1.466
    Molar Refractivity: 52.3±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.48
    ACD/LogD (pH 5.5): 0.62
    ACD/BCF (pH 5.5): 1.74
    ACD/KOC (pH 5.5): 51.64
    ACD/LogD (pH 7.4): 0.62
    ACD/BCF (pH 7.4): 1.74
    ACD/KOC (pH 7.4): 51.64
    Polar Surface Area: 47 Å2
    Polarizability: 20.7±0.5 10-24cm3
    Surface Tension: 35.9±5.0 dyne/cm
    Molar Volume: 188.5±5.0 cm3

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